Cadaverine Tartrate

SCHEMBL6235311

COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)N(C)Cc3cccnc3)n2Cc2ccccc21.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.37

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 8)

	gene	UniProt	supporting neighbours	confidence
▸	AVPR2	P30518	12/20	0.37

▸	PDK1	Q15118	2/20	0.36

▸	AVPR1A	P37288	1/20	0.33

▸	GPBAR1	Q8TDU6	1/20	0.32

▸	GFER	P55789	2/20	0.32

▸	DPP4	P27487	1/20	0.32

▸	DPP8	Q6V1X1	1/20	0.32

▸	DPP9	Q86TI2	1/20	0.32

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
SCHEMBL6207696	0.96	PDK1 (0.39)	AVPR2PDK1AVPR1AGPBAR1GFER
SCHEMBL5891221	0.85	AVPR2 (0.40)	AVPR2PDK1AVPR1AGPBAR1GFER
SCHEMBL5890683	0.84	AVPR2 (0.39)	AVPR2PDK1AVPR1AGPBAR1DPP4
SCHEMBL6475611	0.84	AVPR2 (0.40)	AVPR2AVPR1AGPBAR1
SCHEMBL5891239	0.82	PDK1 (0.39)	AVPR2PDK1AVPR1AGFER
SCHEMBL5106745	0.82	AVPR2 (0.40)	AVPR2AVPR1A
SCHEMBL5891272	0.82	AVPR2 (0.37)	AVPR2PDK1GFER
SCHEMBL5104645	0.81	AVPR2 (0.51)	AVPR2AVPR1A
SCHEMBL6476400	0.79	AVPR2 (0.36)	AVPR2AVPR1AGPBAR1
Citric Acid SCHEMBL5120144	0.78	AVPR2 (0.44)	AVPR2AVPR1A

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
EP-1381607-B1	NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS	WYETH CORP (US)	2005-10-26	—	—	EP	claimed