Cadaverine Tartrate

SCHEMBL9843345

CNc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.CNc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CHRM1 CHRM2 CHRM3 CHRM4 ESR1 ESR2 GABRA1 GABRB1 GABRG2 GBA1 HRH1 HTR1D HTR2A OPRD1 OPRK1 OPRM1 SLC6A2 SLC6A3 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	3/20	0.56

▸	CYP2C19	P33261	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	EGFR	P00533	1/20	0.37

▸	SRC	P12931	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	MAP2K1	Q02750	7/20	0.35

▸	MAP2K2	P36507	2/20	0.33

▸	PRKCZ	Q05513	1/20	0.33

▸	IARS2	Q9NSE4	1/20	0.33

▸	CNR2	P34972	1/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

▸	ALDH1A1	P00352	1/20	0.31

▸	HPGD	P15428	1/20	0.31

▸	CA2	P00918	1/20	0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL9843156	0.92	LMNA (0.56)	LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9843377	0.87	LMNA (0.55)	LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9526337	0.85	LMNA (0.51)	LMNACYP2C19HIF1AEGFRSRC
Cadaverine Tartrate SCHEMBL9526178	0.82	LMNA (0.46)	LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9527194	0.81	LMNA (0.66)	LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL9526167	0.81	LMNA (0.48)	LMNACYP2C19HIF1AEGFRSRC
Malonic Acid SCHEMBL9527869	0.81	LMNA (0.51)	LMNACYP2C19HIF1AEGFRSRC
Cadaverine Tartrate SCHEMBL9842858	0.81	LMNA (0.35)	LMNACYP2C19HIF1ASMN1; SMN2KDM4E
Malonic Acid SCHEMBL9530109	0.80	LMNA (0.67)	LMNACYP2C19HIF1AEGFRSRC
SCHEMBL619944	0.79	LMNA (0.60)	LMNACYP2C19HIF1AEGFRSRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5004835-A	Substituted dicarboxylic acid-bis(3,5-dicarbamoyl-2,4,6-triiodoanilides), process for their production as well as X-ray contrast media containing them	SCHERING AKTIENGESELLSCHAFT (DE)	1991-04-02	—	—	US	claimed