Cadaverine Tartrate

SCHEMBL27748849

C=C(C(=O)OC(C)(C)C)C(=O)c1ccc([C@H](N)CC)cc1[N+](=O)[O-].C=C(C(=O)OC(C)(C)C)C(=O)c1ccc([C@H](N)CC)cc1[N+](=O)[O-].O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

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 6)

	gene	UniProt	supporting neighbours	confidence
▸	ADRB2 known ✓	P07550	1/20	0.32

▸	GRM8	O00222	15/20	0.35

▸	GRM4	Q14833	15/20	0.35

▸	GRM6	O15303	11/20	0.35

▸	GRM7	Q14831	4/20	0.33

▸	FFAR1	O14842	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
SCHEMBL27748906	0.94	ADRB2 (0.35)	GRM8GRM4GRM6ADRB2FFAR1
SCHEMBL27748852	0.94	ADRB2 (0.35)	GRM8GRM4GRM6ADRB2FFAR1
SCHEMBL1185442	0.80	ADRB2 (0.38)	GRM8GRM4GRM6ADRB2
SCHEMBL2582039	0.80	ADRB2 (0.38)	GRM8GRM4GRM6ADRB2
Cadaverine Tartrate SCHEMBL12981095	0.79	GRM8 (0.39)	GRM8GRM4GRM6GRM7
Hydrochloric Acid SCHEMBL1185967	0.79	ADRB2 (0.40)	GRM8GRM4GRM6ADRB2
Cadaverine Tartrate SCHEMBL12980244	0.78	GRM8 (0.38)	GRM8GRM4GRM6GRM7
SCHEMBL27748907	0.76	ADRB2 (0.37)	GRM8GRM4GRM6GRM7ADRB2
SCHEMBL27748853	0.76	ADRB2 (0.37)	GRM8GRM4GRM6GRM7ADRB2
SCHEMBL27696887	0.76	HPGD (0.47)	—

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
CN-101495463-B	Seven-membered ring compound, production method thereof and pharmaceutical use thereof	DAIICHI SANKYO CO LTD	2012-08-15	—	—	CN	disclosed
CN-101495463-A	Seven-membered ring compound, production method thereof and pharmaceutical use thereof	ASUBIO PHARMA CO LTD (JP)	2009-07-29	—	—	CN	disclosed