Cadaverine Tartrate

SCHEMBL8136242

COC(=O)C1=C(C(=O)OC)N(N(C=O)CCCN2CCC(c3ccccn3)CC2)C(=O)NC1c1ccc(F)c(F)c1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.52

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 3)

	gene	UniProt	supporting neighbours	confidence
▸	ADRA1A known ✓	P35348	20/20	0.52

▸	ADRA1D known ✓	P25100	17/20	0.43

▸	ADRA1B known ✓	P35368	17/20	0.43

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
SCHEMBL8554719	0.89	ADRA1A (0.55)	ADRA1AADRA1DADRA1B
SCHEMBL7796529	0.88	ADRA1A (0.54)	ADRA1AADRA1DADRA1B
Cadaverine Tartrate SCHEMBL7638484	0.85	ADRA1A (0.55)	ADRA1AADRA1DADRA1B
SCHEMBL6197410	0.83	ADRA1A (0.49)	ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6200207	0.82	ADRA1A (0.49)	ADRA1AADRA1DADRA1B
SCHEMBL6732872	0.82	ADRA1A (0.48)	ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9055621	0.81	ADRA1A (0.52)	ADRA1AADRA1DADRA1B
SCHEMBL6729949	0.80	ADRA1A (0.63)	ADRA1AADRA1DADRA1B
SCHEMBL7640674	0.80	ADRA1A (0.59)	ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6646907	0.80	ADRA1A (0.55)	ADRA1AADRA1DADRA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1003734-A2	ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST	Merck & Co., Inc. (US)	2000-05-31	—	—	EP	disclosed
WO-1999007695-A2	ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST	MERCK & CO., INC. (US)	1999-02-18	—	—	WO	disclosed